Geometry & MOs

Info

ID:

315294

PubChem CID:

126625465

Reduced:

N2O4C33H38 (1)

Stoich.:

A2B4C33D38 (1)

Weight, g/mol:

534.28422

ΔHf, kcal/mol:

-110.36

Dipole, Da:

3.91

IP(EA), eV:

 -8.81(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-hydroxy-5-[(1R)-1-hydroxy-2-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]methylamino]ethyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)COC2=CC=CC(=C2)C(C3=CC=CC=C3)C(=O)OCC4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations